ethoxymethanediol

C3H8O3 — CID 5231668

IUPACethoxymethanediol
SMILESCCOC(O)O
InChIInChI=1S/C3H8O3/c1-2-6-3(4)5/h3-5H,2H2,1H3
InChIKeyFGCLOJOLJQDQOG-UHFFFAOYSA-N
MW92.09 g/mol
LogP-0.71
Rot. Bonds2

About ethoxymethanediol

ethoxymethanediol (PubChem CID 5231668) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is ethoxymethanediol.

Molecular Properties

Compound Nameethoxymethanediol
PubChem CID5231668
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Nameethoxymethanediol
SMILESCCOC(O)O
InChIInChI=1S/C3H8O3/c1-2-6-3(4)5/h3-5H,2H2,1H3
InChIKeyFGCLOJOLJQDQOG-UHFFFAOYSA-N
XLogP-0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxymethanediol?
The IUPAC name of ethoxymethanediol (CID 5231668) is ethoxymethanediol.
What is the SMILES notation for ethoxymethanediol?
The canonical SMILES for ethoxymethanediol is CCOC(O)O.
What is the InChIKey of ethoxymethanediol?
The InChIKey is FGCLOJOLJQDQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c1-2-6-3(4)5/h3-5H,2H2,1H3.
What are the key properties of ethoxymethanediol?
ethoxymethanediol has a molecular weight of 92.09 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanediol is sourced from PubChem (CID 5231668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).